ethyl (5E)-5-[(3-oxidanylidene-5-pyrazin-2-yl-1,2-dihydropyrazol-4-yl)methylidene]-4-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl (5E)-5-[(3-oxidanylidene-5-pyrazin-2-yl-1,2-dihydropyrazol-4-yl)methylidene]-4-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl (5E)-5-[(3-oxo-5-pyrazin-2-yl-1,2-dihydropyrazol-4-yl)methylene]-4-phenyl-pyrrole-3-carboxylate CAS Name: (5E)-5-[[3-oxo-5-(2-pyrazinyl)-1,2-dihydropyrazol-4-yl]methylidene]-4-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[(3-oxo-5-pyrazin-2-yl-1,2-dihydropyrazol-4-yl)methylidene]-4-phenylpyrrole-3-carboxylate Traditional Name: (5E)-5-[(3-keto-5-pyrazin-2-yl-3-pyrazolin-4-yl)methylene]-4-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC2=C(NNC2=O)C3=NC=CN=C3)N=C1)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(/C(=C\C2=C(NNC2=O)C3=NC=CN=C3)/N=C1)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O3/c1-2-29-21(28)15-11-24-16(18(15)13-6-4-3-5-7-13)10-14-19(25-26-20(14)27)17-12-22-8-9-23-17/h3-12H,2H2,1H3,(H2,25,26,27)/b16-10+